In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 13 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -2.06 | -7.18 | -10.03 | 5 | 6 | 0 | 118 | 194.183 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.92 | -5.81 | -56.06 | 4 | 6 | -1 | 121 | 193.175 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.92 | -6.76 | -56.58 | 4 | 6 | -1 | 121 | 193.175 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.92 | -7.51 | -56.97 | 4 | 6 | -1 | 121 | 193.175 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.